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Information card for entry 4069650
Preview
| Coordinates | 4069650.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H24 O9 Ru4 |
|---|---|
| Calculated formula | C29 H24 O9 Ru4 |
| SMILES | [Ru]12345678([Ru]9%10%11%12%13%14([Ru]%151([Ru]29(C%15=O)(C#[O])(C#[O])C[C]18=[C]24C(=C(C([C]52=[C]6([c]27%10[c]%11([c]%12([c]%13([c]%1412)C)C)C)C)C)C)C)(C3=O)(C#[O])C#[O])(C#[O])C#[O])C#[O] |
| Title of publication | Reactions of Dihydrooctamethyl-s-indacene and 1,2,3,4,7-Pentamethylindene with Ru3(CO)12: Intramolecular sp3C−H Activation |
| Authors of publication | Xu, Kun; Li, Bin; Xu, Shansheng; Song, Haibin; Wang, Baiquan |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 15 |
| Pages of publication | 4438 |
| a | 9.804 ± 0.002 Å |
| b | 18.478 ± 0.004 Å |
| c | 15.826 ± 0.003 Å |
| α | 90° |
| β | 92.28 ± 0.03° |
| γ | 90° |
| Cell volume | 2864.7 ± 1 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0306 |
| Residual factor for significantly intense reflections | 0.0262 |
| Weighted residual factors for significantly intense reflections | 0.0593 |
| Weighted residual factors for all reflections included in the refinement | 0.0611 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178585 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/96. |
4069650.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069650.cif |
| 40377 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069649, 4069650, 4069651, 4069652, 4069653, 4069654 via cif-deposit CGI script. |
4069650.cif |
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Users of the data should acknowledge the original authors of the
structural data.